Geometry & MOs

Info

ID:	364037
PubChem CID:	127313708
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	22.19
Dipole, Da:	2.76
IP(EA), eV:	-8.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N4CCC5=CN=CN=C5C4

DOS

IR

Vibrations